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Products Information

5-Bromo-2-fluoro-3-picoline
5-Bromo-2-fluoro-3-picoline ID: B184533
CAS:29312-98-9
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

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SMILES:n1c(c(cc(c1)Br)C)F	
FORMULA: C6H5BrFN
MASS: 190.0130
EXACT MASS: 188.9589394
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      C   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7576     0.0000 
   C   3    1.2963     0.7417     0.0000 
   C   4    1.4875     1.2927     0.7555     0.0000 
   C   5    0.7396     1.2958     1.4931     1.2822     0.0000 
   C   6    1.2859     1.4931     1.2958     0.7375     0.7417     0.0000 
   F   7    1.3000     0.7432     1.2879     1.9755     1.9735     2.2363 
  Br   8    1.9592     2.2305     1.9685     1.2750     1.2822     0.7375 
   C   9    1.9787     1.2879     0.7432     1.3000     2.2363     1.9735 

              F   7     Br   8      C   9
              ---------------------------------
   F   7    0.0000 
  Br   8    2.9738     0.0000 
   C   9    1.4917     2.5750     0.0000 



ATOMIC CHARGES
   N   1   -0.2162027860
   C   2    0.2182536500
   C   3    0.0245923659
   C   4    0.0077835806
   C   5    0.1079024127
   C   6    0.0535495581
   F   7   -0.1835503430
  Br   8   -0.0473902448
   C   9    0.0350618065


BOND ANGLES
   2    1    5  Car  Nar  Car    119.866
   1    2    3  Nar  Car  Car    119.668
   1    2    7  Nar  Car    F    120.031
   3    2    7  Car  Car    F    120.301
   2    3    9  Car  Car   C3    120.301
   2    3    4  Car  Car  Car    119.391
   4    3    9  Car  Car   C3    120.307
   3    4    6  Car  Car  Car    120.424
   1    5    6  Nar  Car  Car    120.466
   4    6    5  Car  Car  Car    120.184
   4    6    8  Car  Car   Br    119.631
   5    6    8  Car  Car   Br    120.184


TORSION ANGLES
   3    2    1    5      0.026
   7    2    1    5    179.974
   9    3    2    1    179.974
   9    3    2    7      0.026
   4    3    2    1      0.026
   4    3    2    7    179.974
   3    4    6    5      0.026
   3    4    6    8    179.974
   6    5    1    2      0.026
   4    6    5    1      0.026
   8    6    5    1    179.974
   2    3    4    6      0.026
   9    3    4    6    179.974